1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-1-one

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(4-tert-butylphenoxy)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(4-tert-butylphenoxy)propan-1-one Traditional Name: 3-(4-tert-butylphenoxy)-1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C23H28N4O4S2/c1-23(2,3)17-7-9-18(10-8-17)31-16-11-21(28)26-12-14-27(15-13-26)33(29,30)20-6-4-5-19-22(20)25-32-24-19/h4-10H,11-16H2,1-3H3